N-[2-[[6-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(benzothiophene-2-carbonyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[1-benzothiophen-2-yl(oxo)methyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(benzothiophene-2-carbonyl)piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C27H28N6O2S MolecularWeight: 500.61522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C27H28N6O2S/c1-19(34)28-11-12-29-24-18-25(31-26(30-24)20-7-3-2-4-8-20)32-13-15-33(16-14-32)27(35)23-17-21-9-5-6-10-22(21)36-23/h2-10,17-18H,11-16H2,1H3,(H,28,34)(H,29,30,31)